An estimation of physiochemical properties of bladder cancer drugs via degree-based chemical bonding topological descriptors
Abdul Rauf Khan, Nadeem Ul Hassan Awan, Fairouz Tchier, Saeed D. Alahmari, Ashjan F. Khalel, Shahid Hussain
Abstract
The use of topological descriptors remains a significant approach due to numerous advances in the field of drug design. Descriptors provide numerical representations of a molecule's chemical characteristics when used with QSPR models. The QSPR analysis for bladder medications is the main focus of this study. Linear regression model is developed for the computed indices values, the physicochemical properties of the bladder medications are examined.Communicated by Ramaswamy H. Sarma.
Topics & Concepts
Quantitative structure–activity relationshipBladder cancerField (mathematics)Degree (music)Molecular descriptorLinear regressionMathematicsComputer scienceBiological systemArtificial intelligenceMachine learningStatisticsMedicineCancerPure mathematicsBiologyPhysicsInternal medicineAcousticsComputational Drug Discovery MethodsGraph theory and applicationsFree Radicals and Antioxidants